N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline

C12H7ClF2N2O2 — CID 107368860

IUPACN-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline
SMILESO=[N+]([O-])c1cc(F)cc(Nc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C12H7ClF2N2O2/c13-7-1-8(14)3-10(2-7)16-11-4-9(15)5-12(6-11)17(18)19/h1-6,16H
InChIKeyNUCGOCLUBKATOY-UHFFFAOYSA-N
MW284.65 g/mol
LogP4.27
Rot. Bonds3

About N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline

N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline (PubChem CID 107368860) has the molecular formula C12H7ClF2N2O2 and a molecular weight of 284.65 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline
PubChem CID107368860
Molecular FormulaC12H7ClF2N2O2
Molecular Weight284.65 g/mol
Exact Mass284.02
IUPAC NameN-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline
SMILESO=[N+]([O-])c1cc(F)cc(Nc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C12H7ClF2N2O2/c13-7-1-8(14)3-10(2-7)16-11-4-9(15)5-12(6-11)17(18)19/h1-6,16H
InChIKeyNUCGOCLUBKATOY-UHFFFAOYSA-N
XLogP4.27
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.65
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 107576838
3-fluoro-N-(4-fluorophenyl)-5-nitroaniline
CID 80752071
3-chloro-5-fluoro-N-[(3-fluoro-5-nitrophenyl)methyl]aniline
CID 107364783
4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylaniline
CID 80751738
N-[(3,5-dichlorophenyl)methyl]-3-fluoro-5-nitroaniline
CID 107334707
N-(3,5-dimethoxyphenyl)-3-fluoro-5-nitroaniline
CID 80752662
2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 107645553
4-chloro-2-(3-fluoro-5-nitroanilino)benzonitrile
CID 80748231
3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 80752174
1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene
CID 134623777
3-N-(3,5-dichlorophenyl)-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80768290
3-chloro-5-nitro-N-oxidoaniline
CID 145476773

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline (CID 107368860) is N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline is O=[N+]([O-])c1cc(F)cc(Nc2cc(F)cc(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline?
The InChIKey is NUCGOCLUBKATOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2O2/c13-7-1-8(14)3-10(2-7)16-11-4-9(15)5-12(6-11)17(18)19/h1-6,16H.
What are the key properties of N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline?
N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline has a molecular weight of 284.65 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline is sourced from PubChem (CID 107368860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).